Geometry & MOs

Info

ID:	291344
PubChem CID:	111978704
Reduced:	BrN5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	510.16041
ΔH_f, kcal/mol:	56.73
Dipole, Da:	2.14
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NCC2=C(N(N=C2C)C)C

DOS

IR

Vibrations